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trans-1-Benzyl-2,3-bis(1-pyrrolidinyl)-1,2,3,4-tetrahydropyridine-5-carbonitrile
SpectraBase Compound ID CNDMydTvcID
InChI InChI=1S/C21H28N4/c22-15-19-14-20(23-10-4-5-11-23)21(24-12-6-7-13-24)25(17-19)16-18-8-2-1-3-9-18/h1-3,8-9,17,20-21H,4-7,10-14,16H2/t20-,21-/m1/s1
InChIKey BHFGUALSOOZFHC-NHCUHLMSSA-N
Mol Weight 336.48 g/mol
Molecular Formula C21H28N4
Exact Mass 336.231397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYP4XKvjqxq
Name trans-1-Benzyl-2,3-bis(1-pyrrolidinyl)-1,2,3,4-tetrahydropyridine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N4
InChI InChI=1S/C21H28N4/c22-15-19-14-20(23-10-4-5-11-23)21(24-12-6-7-13-24)25(17-19)16-18-8-2-1-3-9-18/h1-3,8-9,17,20-21H,4-7,10-14,16H2/t20-,21-/m1/s1
InChIKey BHFGUALSOOZFHC-NHCUHLMSSA-N
Molecular Weight 336.483 g/mol
SMILES [C@@]1(N(C=C(C[C@]1(N1CCCC1)[H])C#N)Cc1ccccc1)(N1CCCC1)[H]
SPLASH splash10-01bc-5910000000-b03bef0b67b1bc100877
Source of Spectrum QE-6-1768-3
Synonyms (5R,6R)-1-benzyl-5,6-di(1-pyrrolidinyl)-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
Wiley ID 844617